| CAS Number | 68502-23-8 |
| Catalog Number | AG00FGY3(AGN-PC-0WOIYC) |
| Chemical Name | 3-Amino-4-(benzylamino)benzonitrile |
| IUPAC Name | 3-amino-4-(benzylamino)benzonitrile |
| InChI | InChI=1S/C14H13N3/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8,17H,10,16H2 |
| InChI Key | CPCGEBXSWQSQGA-UHFFFAOYSA-N |
| MDL Number | MFCD12424799 |
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.2731 |
| SMILES | N#Cc1ccc(c(c1)N)NCc1ccccc1 |
| Synonyms | 3-amino-4-(benzylamino)benzonitrile,
68502-23-8,
ZINC35674326,
AKOS005840509,
CJ-18830,
BB 0258291,
V7282,
C14H13N3,
5-AMINO-2-(BENZYLAMINO)BENZONITRILE,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.279g/mol |
| Monoisotopic Mass | 223.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number